2-(2-chloro-6-fluorophenyl)-1-(2-fluoro-4,6-dimethylphenyl)ethanone

C16H13ClF2O — CID 106880766

IUPAC2-(2-chloro-6-fluorophenyl)-1-(2-fluoro-4,6-dimethylphenyl)ethanone
SMILESCc1cc(C)c(C(=O)Cc2c(F)cccc2Cl)c(F)c1
InChIInChI=1S/C16H13ClF2O/c1-9-6-10(2)16(14(19)7-9)15(20)8-11-12(17)4-3-5-13(11)18/h3-7H,8H2,1-2H3
InChIKeyMRGCAZVGFOGBPC-UHFFFAOYSA-N
MW294.73 g/mol
LogP4.66
Rot. Bonds3

About 2-(2-chloro-6-fluorophenyl)-1-(2-fluoro-4,6-dimethylphenyl)ethanone

2-(2-chloro-6-fluorophenyl)-1-(2-fluoro-4,6-dimethylphenyl)ethanone (PubChem CID 106880766) has the molecular formula C16H13ClF2O and a molecular weight of 294.73 g/mol. Its IUPAC name is 2-(2-chloro-6-fluorophenyl)-1-(2-fluoro-4,6-dimethylphenyl)ethanone.

Molecular Properties

Compound Name2-(2-chloro-6-fluorophenyl)-1-(2-fluoro-4,6-dimethylphenyl)ethanone
PubChem CID106880766
Molecular FormulaC16H13ClF2O
Molecular Weight294.73 g/mol
Exact Mass294.06
IUPAC Name2-(2-chloro-6-fluorophenyl)-1-(2-fluoro-4,6-dimethylphenyl)ethanone
SMILESCc1cc(C)c(C(=O)Cc2c(F)cccc2Cl)c(F)c1
InChIInChI=1S/C16H13ClF2O/c1-9-6-10(2)16(14(19)7-9)15(20)8-11-12(17)4-3-5-13(11)18/h3-7H,8H2,1-2H3
InChIKeyMRGCAZVGFOGBPC-UHFFFAOYSA-N
XLogP4.66
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.73
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2-chloro-6-fluorophenyl)-1-(2,4-dimethylphenyl)ethanone
CID 43337883
2-(2-chloro-6-fluorophenyl)-1-(2,4,6-trichlorophenyl)ethanone
CID 105349147
2-(2-chloro-6-fluorophenyl)-1-(5-chloro-2-methylphenyl)ethanone
CID 82883461
2-(3,4-dichlorophenyl)-1-(2-fluoro-4,6-dimethylphenyl)ethanone
CID 106880750
2-(2-chloro-6-fluorophenyl)-1-(4,5-dimethylthiophen-2-yl)ethanone
CID 65238914
1-(2-chloro-4,5-difluorophenyl)-2-(2-chloro-6-fluorophenyl)ethanone
CID 107475686
(2,3-dichlorophenyl)-(2-fluoro-4,6-dimethylphenyl)methanone
CID 106883356
2-(2-chloro-6-fluorophenyl)-1-(4-methoxy-3-methylphenyl)ethanone
CID 43379521
2-(2-chloro-6-fluorophenyl)-1-(4-chloro-3-fluorophenyl)ethanone
CID 114024581
1-(2-fluoro-4,6-dimethylphenyl)propan-1-one
CID 106880723
1-(2-chloro-4-fluoro-5-methylphenyl)-2-(2,6-difluorophenyl)ethanone
CID 81046039
2-(2-bromo-3-fluorophenyl)-1-(2,4,6-trimethylphenyl)ethanone
CID 115790101

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-fluorophenyl)-1-(2-fluoro-4,6-dimethylphenyl)ethanone?
The IUPAC name of 2-(2-chloro-6-fluorophenyl)-1-(2-fluoro-4,6-dimethylphenyl)ethanone (CID 106880766) is 2-(2-chloro-6-fluorophenyl)-1-(2-fluoro-4,6-dimethylphenyl)ethanone.
What is the SMILES notation for 2-(2-chloro-6-fluorophenyl)-1-(2-fluoro-4,6-dimethylphenyl)ethanone?
The canonical SMILES for 2-(2-chloro-6-fluorophenyl)-1-(2-fluoro-4,6-dimethylphenyl)ethanone is Cc1cc(C)c(C(=O)Cc2c(F)cccc2Cl)c(F)c1.
What is the InChIKey of 2-(2-chloro-6-fluorophenyl)-1-(2-fluoro-4,6-dimethylphenyl)ethanone?
The InChIKey is MRGCAZVGFOGBPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClF2O/c1-9-6-10(2)16(14(19)7-9)15(20)8-11-12(17)4-3-5-13(11)18/h3-7H,8H2,1-2H3.
What are the key properties of 2-(2-chloro-6-fluorophenyl)-1-(2-fluoro-4,6-dimethylphenyl)ethanone?
2-(2-chloro-6-fluorophenyl)-1-(2-fluoro-4,6-dimethylphenyl)ethanone has a molecular weight of 294.73 g/mol, XLogP of 4.66, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-6-fluorophenyl)-1-(2-fluoro-4,6-dimethylphenyl)ethanone is sourced from PubChem (CID 106880766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).